CAS RN: 94465-25-5
9-(4-Methoxyphenyl)xanthen-9-ol
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
- Product code: SSC-209325
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
94465-25-5 / 9-(4-methoxyphenyl)xanthen-9-ol
Basic Information
CAS
94465-25-5
Multi CAS
No
Molecular Formula
C20H16O3
Molecular Weight
304.300000
Exact Mass
304.109944
InChI
InChI=1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3
InChIKey
ZYACEJZTEMQQEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.05
TPSA
38.69
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
